{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.480679 0.442693 0.23581 ] [ 0.519321 0.942693 0.26419 ] [ 0.480679 0.057307 0.73581 ] [ 0.519321 0.557307 0.76419 ] [ 0.040961 0.817684 0.15644 ] [ 0.959039 0.317684 0.34356 ] [ 0.040961 0.682316 0.65644 ] [ 0.959039 0.182316 0.84356 ] [ 0.264348 0.501908 0.883904 ] [ 0.165404 0.952816 0.963355 ] [ 0.606406 0.196218 0.190081 ] [ 0.143663 0.310183 0.158197 ] [ 0.856337 0.810183 0.341803 ] [ 0.393594 0.696218 0.309919 ] [ 0.834596 0.452816 0.536645 ] [ 0.735652 0.001908 0.616096 ] [ 0.264348 0.998092 0.383904 ] [ 0.165404 0.547184 0.463355 ] [ 0.606406 0.303782 0.690081 ] [ 0.143663 0.189817 0.658197 ] [ 0.856337 0.689817 0.841803 ] [ 0.393594 0.803782 0.809919 ] [ 0.834596 0.047184 0.036645 ] [ 0.735652 0.498092 0.116096 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Sr" "Sr" "Sr" "Sr" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.37657122 "source-unit" "angstrom" } "b" { "source-value" 12.42391017 "source-unit" "angstrom" } "c" { "source-value" 10.87722549 "source-unit" "angstrom" } "beta" { "source-value" 120.38685613 "source-unit" "degree" } }